⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21681680 | 1.00 | — | — | |
| SCHEMBL21681700 | 0.94 | — | — | |
| SCHEMBL21704678 | 0.94 | — | — | |
| SCHEMBL21704932 | 0.93 | — | — | |
| SCHEMBL21681689 | 0.93 | — | — | |
| SCHEMBL30658610 | 0.93 | — | — | |
| SCHEMBL30658603 | 0.91 | — | — | |
| SCHEMBL21704931 | 0.89 | MCHR1 (0.32) | — | |
| SCHEMBL21704833 | 0.87 | MCHR1 (0.32) | — | |
| SCHEMBL21704955 | 0.86 | PPARA (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3621958-B1 | PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS | TRANSITIONS OPTICAL LTD (IE) | 2024-07-10 | — | — | EP | disclosed |
| US-20200048216-A1 | Photochromic Indeno Fused Phenanthrenopyran Compounds | TRANSITIONS OPTICAL, LTD. (IE) | 2020-02-13 | — | — | US | disclosed |